(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

C20H24N4O2 — CID 57336488

IUPAC(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
InChIInChI=1S/C20H24N4O2/c21-17(13-15-7-2-1-3-8-15)20(26)24-12-6-10-18(24)19(25)23-14-16-9-4-5-11-22-16/h1-5,7-9,11,17-18H,6,10,12-14,21H2,(H,23,25)/t17-,18+/m1/s1
InChIKeyBUZZZPBDSHVEFR-MSOLQXFVSA-N
MW352.44 g/mol
LogP1.26
Rot. Bonds6

About (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 57336488) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID57336488
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
InChIInChI=1S/C20H24N4O2/c21-17(13-15-7-2-1-3-8-15)20(26)24-12-6-10-18(24)19(25)23-14-16-9-4-5-11-22-16/h1-5,7-9,11,17-18H,6,10,12-14,21H2,(H,23,25)/t17-,18+/m1/s1
InChIKeyBUZZZPBDSHVEFR-MSOLQXFVSA-N
XLogP1.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide (CID 57336488) is (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is BUZZZPBDSHVEFR-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-17(13-15-7-2-1-3-8-15)20(26)24-12-6-10-18(24)19(25)23-14-16-9-4-5-11-22-16/h1-5,7-9,11,17-18H,6,10,12-14,21H2,(H,23,25)/t17-,18+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 57336488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).